methyl 6-[(4-bromanyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[(4-bromanyl-3-nitro-1H-pyrazol-5-yl)carbonylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[(4-bromo-3-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[(4-bromo-3-nitro-1H-pyrazole-5-carbonyl)amino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C14H8BrClN4O5S MolecularWeight: 459.65912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br)Cl

InChI

InChI=1S/C14H8BrClN4O5S/c1-25-14(22)11-9(16)6-3-2-5(4-7(6)26-11)17-13(21)10-8(15)12(19-18-10)20(23)24/h2-4H,1H3,(H,17,21)(H,18,19)